diff --git a/source/module_io/cube_io.h b/source/module_io/cube_io.h
index 9034f1cb6e..b9c33dfcf4 100644
--- a/source/module_io/cube_io.h
+++ b/source/module_io/cube_io.h
@@ -28,27 +28,6 @@ extern bool read_cube(
     int& prenspin,
     const bool warning_flag = true);
 
-extern void read_cube_core(
-    std::ifstream &ifs,
-#ifdef __MPI
-    const Parallel_Grid*const Pgrid,
-#endif
-    const int my_rank,
-    const std::string esolver_type,
-    const int rank_in_stogroup,
-#ifdef __MPI
-#else
-    const int is,
-    std::ofstream& ofs_running,
-#endif
-    double*const data,
-    const int nx,
-    const int ny,
-    const int nz,
-    const int nx_read,
-    const int ny_read,
-    const int nz_read);
-
 extern void write_cube(
 #ifdef __MPI
     const int bz,
@@ -69,6 +48,31 @@ extern void write_cube(
     const int precision = 11,
     const int out_fermi = 1); // mohan add 2007-10-17
 
+
+extern void read_cube_core_match(
+    std::ifstream &ifs,
+#ifdef __MPI
+    const Parallel_Grid*const Pgrid,
+    const bool flag_read_rank,
+#endif
+    double*const data,
+    const int nxy,
+    const int nz);
+
+extern void read_cube_core_mismatch(
+    std::ifstream &ifs,
+#ifdef __MPI
+    const Parallel_Grid*const Pgrid,
+    const bool flag_read_rank,
+#endif
+    double*const data,
+    const int nx,
+    const int ny,
+    const int nz,
+    const int nx_read,
+    const int ny_read,
+    const int nz_read);
+
 extern void write_cube_core(
     std::ofstream &ofs_cube,
 #ifdef __MPI
@@ -120,7 +124,7 @@ extern void write_cube_core(
                                const int& ny,
                                const int& nz,
 #ifdef __MPI
-                               double** data
+                               std::vector<std::vector<double>> &data
 #else
                                double* data
 #endif
diff --git a/source/module_io/read_cube.cpp b/source/module_io/read_cube.cpp
index 33a9bd04d0..971d97e474 100644
--- a/source/module_io/read_cube.cpp
+++ b/source/module_io/read_cube.cpp
@@ -112,29 +112,61 @@ bool ModuleIO::read_cube(
         }
     }
 
+    const bool flag_read_rank = (my_rank == 0 || (esolver_type == "sdft" && rank_in_stogroup == 0));
 #ifdef __MPI
-    ModuleIO::read_cube_core(ifs, Pgrid, my_rank, esolver_type, rank_in_stogroup, data, nx, ny, nz, nx_read, ny_read, nz_read);
+    if(nx == nx_read && ny == ny_read && nz == nz_read)
+        ModuleIO::read_cube_core_match(ifs, Pgrid, flag_read_rank, data, nx*ny, nz);
+    else
+        ModuleIO::read_cube_core_mismatch(ifs, Pgrid, flag_read_rank, data, nx, ny, nz, nx_read, ny_read, nz_read);
 #else
-    ModuleIO::read_cube_core(ifs, my_rank, esolver_type, rank_in_stogroup, is, ofs_running, data, nx, ny, nz, nx_read, ny_read, nz_read);
+    ofs_running << " Read SPIN = " << is + 1 << " charge now." << std::endl;
+    if(nx == nx_read && ny == ny_read && nz == nz_read)
+        ModuleIO::read_cube_core_match(ifs, data, nx*ny, nz);
+    else
+        ModuleIO::read_cube_core_mismatch(ifs, data, nx, ny, nz, nx_read, ny_read, nz_read);
 #endif
 
-    if (my_rank == 0 || (esolver_type == "sdft" && rank_in_stogroup == 0))
-        ifs.close();
     return true;
 }
 
-void ModuleIO::read_cube_core(
+void ModuleIO::read_cube_core_match(
     std::ifstream &ifs,
 #ifdef __MPI
     const Parallel_Grid*const Pgrid,
+    const bool flag_read_rank,
 #endif
-    const int my_rank,
-    const std::string esolver_type,
-    const int rank_in_stogroup,
+    double*const data,
+    const int nxy,
+    const int nz)
+{
 #ifdef __MPI
+    if (flag_read_rank)
+    {
+        std::vector<std::vector<double>> read_rho(nz, std::vector<double>(nxy));
+        for (int ixy = 0; ixy < nxy; ixy++)
+            for (int iz = 0; iz < nz; iz++)
+                ifs >> read_rho[iz][ixy];
+        for (int iz = 0; iz < nz; iz++)
+            Pgrid->zpiece_to_all(read_rho[iz].data(), iz, data);
+    }
+    else
+    {
+        std::vector<double> zpiece(nxy);
+        for (int iz = 0; iz < nz; iz++)
+            Pgrid->zpiece_to_all(zpiece.data(), iz, data);
+    }
 #else
-    const int is,
-    std::ofstream& ofs_running,
+    for (int ixy = 0; ixy < nxy; ixy++)
+        for (int iz = 0; iz < nz; iz++)
+            ifs >> data[iz * nxy + ixy];
+#endif
+}
+
+void ModuleIO::read_cube_core_mismatch(
+    std::ifstream &ifs,
+#ifdef __MPI
+    const Parallel_Grid*const Pgrid,
+    const bool flag_read_rank,
 #endif
     double*const data,
     const int nx,
@@ -144,83 +176,23 @@ void ModuleIO::read_cube_core(
     const int ny_read,
     const int nz_read)
 {
-    const bool same = (nx == nx_read && ny == ny_read && nz == nz_read) ? true : false;
-
 #ifdef __MPI
     const int nxy = nx * ny;
-    double* zpiece = nullptr;
-    double** read_rho = nullptr;
-    if (my_rank == 0 || (esolver_type == "sdft" && rank_in_stogroup == 0))
+    if (flag_read_rank)
     {
-        read_rho = new double*[nz];
+        std::vector<std::vector<double>> read_rho(nz, std::vector<double>(nxy));
+        ModuleIO::trilinear_interpolate(ifs, nx_read, ny_read, nz_read, nx, ny, nz, read_rho);
         for (int iz = 0; iz < nz; iz++)
-        {
-            read_rho[iz] = new double[nxy];
-        }
-        if (same)
-        {
-            for (int ix = 0; ix < nx; ix++)
-            {
-                for (int iy = 0; iy < ny; iy++)
-                {
-                    for (int iz = 0; iz < nz; iz++)
-                    {
-                        ifs >> read_rho[iz][ix * ny + iy];
-                    }
-                }
-            }
-        }
-        else
-        {
-            ModuleIO::trilinear_interpolate(ifs, nx_read, ny_read, nz_read, nx, ny, nz, read_rho);
-        }
+            Pgrid->zpiece_to_all(read_rho[iz].data(), iz, data);
     }
     else
     {
-        zpiece = new double[nxy];
-        ModuleBase::GlobalFunc::ZEROS(zpiece, nxy);
-    }
-
-    for (int iz = 0; iz < nz; iz++)
-    {
-        if (my_rank == 0 || (esolver_type == "sdft" && rank_in_stogroup == 0))
-        {
-            zpiece = read_rho[iz];
-        }
-        Pgrid->zpiece_to_all(zpiece, iz, data);
-    } // iz
-
-    if (my_rank == 0 || (esolver_type == "sdft" && rank_in_stogroup == 0))
-    {
+        std::vector<double> zpiece(nxy);
         for (int iz = 0; iz < nz; iz++)
-        {
-            delete[] read_rho[iz];
-        }
-        delete[] read_rho;
-    }
-    else
-    {
-        delete[] zpiece;
+            Pgrid->zpiece_to_all(zpiece.data(), iz, data);
     }
 #else
-    ofs_running << " Read SPIN = " << is + 1 << " charge now." << std::endl;
-    if (same)
-    {
-        for (int i = 0; i < nx; i++)
-        {
-            for (int j = 0; j < ny; j++)
-            {
-                for (int k = 0; k < nz; k++)
-                {
-                    ifs >> data[k * nx * ny + i * ny + j];
-                }
-            }
-        }
-    }
-    else
-    {
-        ModuleIO::trilinear_interpolate(ifs, nx_read, ny_read, nz_read, nx, ny, nz, data);
-    }
+    ModuleIO::trilinear_interpolate(ifs, nx_read, ny_read, nz_read, nx, ny, nz, data.data());
 #endif
 }
 
@@ -232,7 +204,7 @@ void ModuleIO::trilinear_interpolate(std::ifstream& ifs,
                                      const int& ny,
                                      const int& nz,
 #ifdef __MPI
-                                     double** data
+                                     std::vector<std::vector<double>> &data
 #else
                                      double* data
 #endif